EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90993 - MgADP(1−)

ChEBI IDCHEBI:90993
ChEBI NameMgADP(1−)
Stars
ASCII NameMgADP(1-)
DefinitionAn organophosphate oxoanion that is MgADP which has lost the proton attached to the diphosphate moiety.
Last Modified20 January 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC10H12N5O10P2.Mg
Net Charge-1
Average Mass448.484
Monoisotopic Mass447.99153
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2]
InChIInChI=1S/C10H15N5O10P2.Mg/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q;+2/p-3/t4-,6-,7-,10-;/m1./s1
InChIKeySVSKFMJQWMZCRD-MCDZGGTQSA-K
ChEBI Ontology
Outgoing Relation(s)
MgADP(1−) (CHEBI:90993) has part magnesium(2+) (CHEBI:18420)
MgADP(1−) (CHEBI:90993) is a organophosphate oxoanion (CHEBI:58945)
MgADP(1−) (CHEBI:90993) is conjugate base of MgADP (CHEBI:87194)
Incoming Relation(s)
MgADP (CHEBI:87194) is conjugate acid of MgADP(1−) (CHEBI:90993)
IUPAC Name 
magnesium 5'-O-[(phosphonatooxy)phosphinato]adenosine